Preferred Mn spacings in Al-Mn compounds

Abstract
A model pair potential is calculated for Mn-Mn pairs in Al using a Green’s function method. The pair potential has a preferred spacing of 4.7 Å. The energy resulting from these Mn-Mn interactions strongly favors the Al6Mn, α-AlMnSi, and icosahedral quasicrystal structures relative to competing simple structures, providing a possible mechanism for stabilizing the complex structures.